2-ethyl-3,4-dihydropyrazole

C5H10N2 — CID 19604021

IUPAC2-ethyl-3,4-dihydropyrazole
SMILESCCN1CCC=N1
InChIInChI=1S/C5H10N2/c1-2-7-5-3-4-6-7/h4H,2-3,5H2,1H3
InChIKeyPCXKKVLIZDSESW-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.70
Rot. Bonds1

About 2-ethyl-3,4-dihydropyrazole

2-ethyl-3,4-dihydropyrazole (PubChem CID 19604021) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-ethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-ethyl-3,4-dihydropyrazole
PubChem CID19604021
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-ethyl-3,4-dihydropyrazole
SMILESCCN1CCC=N1
InChIInChI=1S/C5H10N2/c1-2-7-5-3-4-6-7/h4H,2-3,5H2,1H3
InChIKeyPCXKKVLIZDSESW-UHFFFAOYSA-N
XLogP0.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dihydropyrazole?
The IUPAC name of 2-ethyl-3,4-dihydropyrazole (CID 19604021) is 2-ethyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-ethyl-3,4-dihydropyrazole?
The canonical SMILES for 2-ethyl-3,4-dihydropyrazole is CCN1CCC=N1.
What is the InChIKey of 2-ethyl-3,4-dihydropyrazole?
The InChIKey is PCXKKVLIZDSESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-7-5-3-4-6-7/h4H,2-3,5H2,1H3.
What are the key properties of 2-ethyl-3,4-dihydropyrazole?
2-ethyl-3,4-dihydropyrazole has a molecular weight of 98.15 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dihydropyrazole is sourced from PubChem (CID 19604021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).